Re: [Jmol-users] color of hbonds after calculate hbonds structure

2010-10-18 Thread Angel Herráez
Oh, I see. I don't have a strong feeling about this. You can leave it as it is. I was mostly thinking on documentation (colors page at website) Any opinions on this from other users? -- Download new Adobe(R) Flash(R)

[Jmol-users] poll: behaviour of reload

2010-10-18 Thread Angel Herráez
Dear Jmol users: I would like your opinion about a new entry in the Jmol application top menubar. I have added **Available in the next 12.1.x release** File Reload that, right now, calls the command load (that is, reloads the current model) Bob has mentioned that it could do

[Jmol-users] mouse problem?

2010-10-18 Thread Mio_libero
While in the lab with my class using Jmol, students made me notice that after using distance and angle measurements, They could drag the molecule keeping just the left buttom pressed. Is it a bug or normal behaviour? I had to reload the page to resume the normal mouse behaviour Pino

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Robert Hanson
How do you usually drag the molecule? On Mon, Oct 18, 2010 at 6:17 AM, Mio_libero pino.stricc...@libero.itwrote: While in the lab with my class using Jmol, students made me notice that after using distance and angle measurements, They could drag the molecule keeping just the left buttom

Re: [Jmol-users] poll: behaviour of reload

2010-10-18 Thread Robert Hanson
The two suggestions for reload are: a) load b) load ... (whatever that last load command was) Not sure what this would do if the last load command was an APPEND. Bob 2010/10/18 Angel Herráez angel.herr...@uah.es Dear Jmol users: I would like your opinion about a new entry in the

Re: [Jmol-users] Random Errors

2010-10-18 Thread Robert Hanson
Otis, I don't know. Everything there looks fine to me. A little tricky having the timeout there as well. You're getting information three or four different times, all asynchronously. Not a great idea, if you ask me. So we have: loadApplet --- Javascript:JmolInit() JmolInit() -- JmolScript()

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Angel Herráez
How do you usually drag the molecule? Ctrl + rightDrag or double-clic and drag as far as I remember, there are no other ways -- Download new Adobe(R) Flash(R) Builder(TM) 4 The new Adobe(R) Flex(R) 4 and Flash(R)

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Robert Hanson
oh, you mean TRANSLATE. Let me know if you can figure out how to reproduce that. 2010/10/18 Angel Herráez angel.herr...@uah.es How do you usually drag the molecule? Ctrl + rightDrag or double-clic and drag as far as I remember, there are no other ways

Re: [Jmol-users] bug in Jmol Version 12.0.18

2010-10-18 Thread Andreas Prlic
Hi Bob, Just a quick follow up to confirm that this was indeed a browser caching issue and that the new build works fine... Thanks for your help, Andreas On Fri, Oct 15, 2010 at 1:44 PM, Robert Hanson hans...@stolaf.edu wrote: Andreas, I really don't think it's Jmol. What you need to do

Re: [Jmol-users] Random Errors

2010-10-18 Thread Otis Rothenberger
Bob, I know that I need to try to get rid of those JavaScript timeouts. The construct jmolScriptWait(scpt) sounds interesting. I'm not familiar with it. In the following example, what is jmolScriptWait(scpt) waiting for? Is it that scpt does not execute until all of the subsequent JavaScript

[Jmol-users] internal coordinate (z-matrix) addition of an atom to a molecule

2010-10-18 Thread Robert Hanson
Piero, Try this for now as a Jmol script. function zAdd(type, dist, a, ang, b, tor, c) { /* adds an atom x connected to A and distance DIST from A with angle ANG for x-A-B and dihedral TOR for x-A-B-C Note: If a or b or c is a coordinate, such as {1 2 1}, and we have fractional

[Jmol-users] questions about secondary structure

2010-10-18 Thread Jeff Cohlberg
I have two questions about secondary structure: 1. In the lastest versions of Jmol, including 12.0.18, there are two different colors for helices, most of them magenta as before but some, mostly short helices, a shade of purple. What is the significance of the two colors? Are the purple ones

Re: [Jmol-users] internal coordinate (z-matrix) addition of an atom to a molecule

2010-10-18 Thread P . Canepa
That's great -- Please consider the environment before printing this e-mail. Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc...@kent.ac.uk mobile: +44 (0) 7772-9756456

Re: [Jmol-users] How to align a molecule with the axis?

2010-10-18 Thread Robert Hanson
ps: If you want to do that smoothly over 1 second, you would use this (all in one line now): var M = {_S} var A = {atomno=2} var B = {atomno=5} # (or whatever) spin @{quaternion({1 0 0}, 90) * (!quaternion(M, A, B)) * (!quaternion(script(show rotation)))} -1 On Mon, Oct 18, 2010 at 11:26

Re: [Jmol-users] questions about secondary structure

2010-10-18 Thread Angel Herráez
Hi Jeff 1. In the lastest versions of Jmol, including 12.0.18, there are two different colors for helices, most of them magenta as before but some, mostly short helices, a shade of purple. What is the significance of the two colors? Are the purple ones variant (e.g. 3-10) helices? Does

Re: [Jmol-users] questions about secondary structure

2010-10-18 Thread Robert Hanson
Jeff, On Mon, Oct 18, 2010 at 11:27 AM, Jeff Cohlberg cohlb...@csulb.edu wrote: I have two questions about secondary structure: 1. In the lastest versions of Jmol, including 12.0.18, there are two different colors for helices, most of them magenta as before but some, mostly short helices, a

Re: [Jmol-users] How to align a molecule with the axis?

2010-10-18 Thread Marco Zimmer-De Iuliis
OK, I think that is doing something, but not quite. Here is a website along the lines of what I would like to try to do. http://www.wellesley.edu/Chemistry/Flick/ligandfield.html It is a jmol page and if you click on the octahedral filed, then the point charges are located such that the align

Re: [Jmol-users] How to align a molecule with the axis?

2010-10-18 Thread Robert Hanson
You'll have to give me a specific example. Flick is using Jmol 11.6 there, but if you upgrade it to 12.1 using: http://www.wellesley.edu/Chemistry/Flick/ligandfield.html?JMOLJAR=http://chemapps.stolaf.edu/jmol/docs/examples-12/JmolAppletSigned0.jar then you can see what I am talking about.

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Mio_libero
I used to drag the molecule with control and leftkey, if i remeber well. or with right click. With just the left button pressed, i could not translate the molecule usually. Pino How do you usually drag the molecule? On Mon, Oct 18, 2010 at 6:17 AM, Mio_libero pino.stricc...@libero.it

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Robert Hanson
Jmol Version? Can you now reproduce the problem? On Mon, Oct 18, 2010 at 6:17 AM, Mio_libero pino.stricc...@libero.itwrote: While in the lab with my class using Jmol, students made me notice that after using distance and angle measurements, They could drag the molecule keeping just the left

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Mio_libero
Robert, Angel has already remembered the way to translate the molecule. i tried again to reproduce that problem but until now everything seems normal. The issue comes out after making measures of angles. Keeping the left mouse pressed simply drags the molecule around. Maybe a problem of local

Re: [Jmol-users] mouse problem?

2010-10-18 Thread Robert Hanson
Check the version -- we did have an issue like that some time ago. It wasn't measurements, but I could imagine that your students thought it was, just because that is what they were doing. More likely it had to do with moving the mouse out of Jmol across the right-hand edge of the applet in order

Re: [Jmol-users] Random Errors

2010-10-18 Thread Otis Rothenberger
Bob, I found the jmolScriptWait(scpt) documentation on the jmol.js documentation page. I had problems implementing it. There's something I'm not getting right in my attempts. BUT Your terminal Jmol JavaScript command appears to be the solution to my problem. One by one, I'm able to remove